Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL040747
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-4-14-34-21-9-7-8-19(17-21)25-24(27(32)28(33)30(25)13-12-29(5-2)6-3)26(31)20-10-11-22-23(18-20)36-16-15-35-22/h7-11,17-18,25,31H,4-6,12-16H2,1-3H3/b26-24+InChIKey
TWLJAFXDTAYUOL-SHHOIMCASA-NSynonyms
578753-32-9(4E)1(2DIETHYLAMINOETHYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
578753329
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCOc1cccc(c1)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC28H34N2O6c1414342197819(1721)2524(27(32)28(33)30(25)131229(52)63)26(31)2010112223(1820)3616153522h71117182531H461216H213H3b2624+
MFCD18248055
ZINC000102866835
ZINC000102866836
Check stock
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